. Author manuscript; available in PMC: 2021 Nov 18.

Published in final edited form as: Phys Chem Chem Phys. 2020 Nov 18;22(44):25652–25660. doi: 10.1039/d0cp04580b

Table 7.

Comparison of the spectroscopic constants (in MHz) of the series pyrrole-Rg and pyrrole monomer.

	Pyrrole-²⁰Ne	Pyrrole-²⁰Ne²⁰Ne	Pyrrole^b	Pyrrole-Ar^c
A	4654.5380(60)^a	4408.6361(36)^a	9130.637(10)	4601.423(4)
B	2101.6705(51)	965.0390(26)	9001.360(10)	1355.701(1)
C	2099.3956(54)	954.7953(13)	4532.120(10)	1355.070(1)
D_J	0.03272(80)	0.004548(76)	−	0.00475(2)
D_JK	0.13554(31)	0.01978(60)	−	0.02503(1)
D_K	−0.1429(12)	−	−	−0.02612(8)
d₁	-	-	-	−0.00021(1)
χ_aa	−2.498(12)	−2.6302(97)	−2.704(4)	−2.581(3)
χ_bb	1.231(14)	1.3667(83)	1.412(3)	1.315(2)
χcc	1.267^a	1.2635^a	1.292(4)	1.266(4)

Derived value using χ_aa and χ_bb which have been obtained from the fit.

Reference [37]

Reference [20]